2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide

C18H19F2N3O — CID 84576375

IUPAC2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccnc1N1CCCCCC1
InChIInChI=1S/C18H19F2N3O/c19-13-7-8-15(20)16(12-13)22-18(24)14-6-5-9-21-17(14)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,22,24)
InChIKeyXOHVTFQZCWTTMN-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.99
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide (PubChem CID 84576375) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
PubChem CID84576375
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccnc1N1CCCCCC1
InChIInChI=1S/C18H19F2N3O/c19-13-7-8-15(20)16(12-13)22-18(24)14-6-5-9-21-17(14)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,22,24)
InChIKeyXOHVTFQZCWTTMN-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 84576944
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84574316
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-(2-methoxy-5-methyl-3-pyridinyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 122144270
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 43056440
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120881137
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide (CID 84576375) is 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1cccnc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is XOHVTFQZCWTTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-13-7-8-15(20)16(12-13)22-18(24)14-6-5-9-21-17(14)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,22,24).
What are the key properties of 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84576375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).